3-[4-[methyl-[(4-piperidin-1-ylphenyl)methyl]sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[methyl-[(4-piperidin-1-ylphenyl)methyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[methyl-[[4-(1-piperidyl)phenyl]methyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[methyl-[[4-(1-piperidinyl)phenyl]methyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[methyl-[(4-piperidin-1-ylphenyl)methyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[methyl-(4-piperidinobenzyl)sulfamoyl]phenyl]propionic acid Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C22H28N2O4S/c1-23(17-19-5-10-20(11-6-19)24-15-3-2-4-16-24)29(27,28)21-12-7-18(8-13-21)9-14-22(25)26/h5-8,10-13H,2-4,9,14-17H2,1H3,(H,25,26)